Basic information
- Standard SMILES
CC(C)(COC(F)(F)F)c1cncc(B(O)O)c1- InChIKey
HEIIKDLVJBEARA-UHFFFAOYSA-N- Molecular formula
- C10H13BF3NO3
- Average molar mass
- 263.02 g/mol
Names & identifiers
- Preferred name
- 5-(2-Methyl-1-(trifluoromethoxy)propan-2-yl)pyridin-3-ylboronic acid
- IUPAC
- [5-[2-methyl-1-(trifluoromethoxy)propan-2-yl]-3-pyridinyl]boronic acid
Names & synonyms
1404367-37-85-(2-methyl-1-(trifluoromethoxy)propan-2-yl)pyridin-3-ylboronic acidSCHEMBL13734043DA-10594(5-(2-Methyl-1-(trifluoromethoxy)propan-2-yl)pyridin-3-yl)boronic acid{5-[2-methyl-1-(trifluoromethoxy)-2-propanyl]-3-pyridinyl}boronic acid
Database identifiers
- PubChem CID
- 70981237
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
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